Geometry & MOs

Info

ID:	170445
PubChem CID:	75234341
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	3.78
IP(EA), eV:	-8.6(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methylpyrazolidin-3-yl)amino]-2-oxoethyl] 4-tert-butylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CC(NN2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations